N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(4-methylbenzene-1-sulfonyl)-N~2~-(2-methylbutyl)-N-[(3-methylthiophen-2-yl)methyl]glycinamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(4-methylbenzene-1-sulfonyl)-N~2~-(2-methylbutyl)-N-[(3-methylthiophen-2-yl)methyl]glycinamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(4-methylbenzene-1-sulfonyl)-N~2~-(2-methylbutyl)-N-[(3-methylthiophen-2-yl)methyl]glycinamide
Compound characteristics
| Compound ID: | V024-4847 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(4-methylbenzene-1-sulfonyl)-N~2~-(2-methylbutyl)-N-[(3-methylthiophen-2-yl)methyl]glycinamide |
| Molecular Weight: | 542.72 |
| Molecular Formula: | C28 H34 N2 O5 S2 |
| Smiles: | CCC(C)CN(CC(N(Cc1ccc2c(c1)OCO2)Cc1c(C)ccs1)=O)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1262 |
| logD: | 6.1262 |
| logSw: | -5.4159 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.431 |
| InChI Key: | MRMYLYMKBHCRCM-FQEVSTJZSA-N |